N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide

C11H9N5O4 — CID 3605149

IUPACN-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide
SMILESNC(=O)C1C(=O)NC(=O)C1=NNC(=O)c1ccncc1
InChIInChI=1S/C11H9N5O4/c12-8(17)6-7(11(20)14-10(6)19)15-16-9(18)5-1-3-13-4-2-5/h1-4,6H,(H2,12,17)(H,16,18)(H,14,19,20)
InChIKeyNVULSRRPMCKMFP-UHFFFAOYSA-N
MW275.22 g/mol
LogP-2.07
Rot. Bonds3

About N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide

N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide (PubChem CID 3605149) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide
PubChem CID3605149
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC NameN-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide
SMILESNC(=O)C1C(=O)NC(=O)C1=NNC(=O)c1ccncc1
InChIInChI=1S/C11H9N5O4/c12-8(17)6-7(11(20)14-10(6)19)15-16-9(18)5-1-3-13-4-2-5/h1-4,6H,(H2,12,17)(H,16,18)(H,14,19,20)
InChIKeyNVULSRRPMCKMFP-UHFFFAOYSA-N
XLogP-2.07
TPSA143.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide (CID 3605149) is N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide is NC(=O)C1C(=O)NC(=O)C1=NNC(=O)c1ccncc1.
What is the InChIKey of N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is NVULSRRPMCKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c12-8(17)6-7(11(20)14-10(6)19)15-16-9(18)5-1-3-13-4-2-5/h1-4,6H,(H2,12,17)(H,16,18)(H,14,19,20).
What are the key properties of N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide?
N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 275.22 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoyl-2,5-dioxopyrrolidin-3-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 3605149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).